UCSF

ZINC41367026

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.63 2.22 -48.66 3 6 1 80 240.283 3
Hi High (pH 8-9.5) -0.63 0.06 -12.09 2 6 0 79 239.275 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )